UCSF

ZINC08779786

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.77 2.6 -7.89 0 5 0 65 437.458 7
Mid Mid (pH 6-8) 4.96 3 -8.83 0 5 0 64 437.458 7
Mid Mid (pH 6-8) 4.96 4.08 -14.31 0 5 0 64 437.458 7
Mid Mid (pH 6-8) 4.77 2.88 -11.14 0 5 0 64 437.458 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )